Geometry & MOs

Info

ID:	344351
PubChem CID:	127267527
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	344.115237
ΔH_f, kcal/mol:	-54.53
Dipole, Da:	6.41
IP(EA), eV:	-8.98(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-aminopurin-9-yl)ethyl]-2-(4-chlorophenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

COCCOC1=CC=CC(=C1)C(=O)N2CCCC2C3=NC=CC=N3

DOS

IR

Vibrations